MCULE-3116284832
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-3116284832.sdf |
SMILES | MCULE-3116284832.smiles |
Standard InChI | MCULE-3116284832.inchi |
InChIKey | MCULE-3116284832.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892864195 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-901272386 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894670757 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436446961 | Alinda | Building Blocks | 95 | As is | 10 g |
P-675040225 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-19918166 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-867730866 | AmBeed | On request | N/A | As is | by synthesis |
P-901347632 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-862396066 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454754886 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-454693184 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619855370 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
P-868636817 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-34459146 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580764605 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580775119 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-596590374 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-611663876 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852397316 | Matrix Scientific | All | N/A | As is | in stock |
P-854911345 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23859166 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491128012 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12820228 | Specs | Screening Compounds | 90 | As is | 81 mg |
P-33464968 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502341629 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888471985 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855301934 | Toronto Research | In stock | 90 | As is | in stock |
P-3234761 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.11 g |
P-1144272 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.11 g |
Property | Value |
---|---|
Components | 1 |
Mass | 314.231 |
logP | 3.6431 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 35.53 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 69.1325 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 10 |
Heteroatoms | 7 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |